Showing entry for Pseudoephedrine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0018772
Compound NamePseudoephedrine
Structure
FormulaC10H15NO
InchiKeyKWGRBVOPPLSCSI-WCBMZHEXSA-N
SMILESCN[C@H]([C@H](c1ccccc1)O)C
InchiInChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
IUPAC(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
Molecular Weight165.12
Pubchem Id7028
Chembl IdCHEMBL1590
Targets of Information Source
DrugBank DB00852
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P23975 BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 approved inhibitor
Q01959 BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 approved inhibitor
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A approved agonist
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A approved agonist
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 approved inhibitor
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 approved partial agonist
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 approved agonist,partial agonist
O95644 BXGT005389 Nuclear factor of activated T-cells, cytoplasmic 1 reviewed Transcription factor NFATC1 approved inhibitor
P01375 BXGT005753 Tumor necrosis factor reviewed Signaling TNF approved inhibitor
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 approved inhibitor
P18846 BXGT008430 Cyclic AMP-dependent transcription factor ATF-1 reviewed - ATF1 approved -
P15336 BXGT008109 Cyclic AMP-dependent transcription factor ATF-2 reviewed Transcription factor ATF2 approved -
P18847 BXGT008431 Cyclic AMP-dependent transcription factor ATF-3 reviewed Transcription factor ATF3 approved -
P18848 BXGT008432 Cyclic AMP-dependent transcription factor ATF-4 reviewed - ATF4 approved -
Q9Y2D1 BXGT022230 Cyclic AMP-dependent transcription factor ATF-5 reviewed - ATF5 approved -
P18850 BXGT008433 Cyclic AMP-dependent transcription factor ATF-6 alpha reviewed - ATF6 approved -
P17544 BXGT008316 Cyclic AMP-dependent transcription factor ATF-7 reviewed Transcription factor ATF7 approved -
Q8WYK2 BXGT019020 Jun dimerization protein 2 reviewed Transcription factor JDP2 approved -
P01100 BXGT005727 Proto-oncogene c-Fos reviewed Transcription factor FOS approved -
P05412 BXGT006354 Transcription factor AP-1 reviewed Transcription factor JUN approved inhibitor
P60568 BXGT011315 Interleukin-2 reviewed - IL2 approved inhibitor
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1590
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 1584 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 12 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 19952 nM
P14618 BXGT008027 Pyruvate kinase PKM reviewed Kinase PKM Potency '=' 7943 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency '=' 39810 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 25118 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 794 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 39810 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 12589 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 631 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 1584 nM
P40225 BXGT010168 Thrombopoietin reviewed - THPO Potency '=' 3162 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 125 nM
Q64133 BXGT016109 Amine oxidase [flavin-containing] A reviewed - Maoa Activity - - -
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 398 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency '=' 28183 nM
O14924 BXGT004111 Regulator of G-protein signaling 12 reviewed - RGS12 Potency '=' 7943 nM
P63096 BXGT011496 Guanine nucleotide-binding protein G(i) subunit alpha-1 reviewed Enzyme modulator GNAI1 Potency '=' 7943 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 631 nM
O15357 BXGT004156 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 reviewed - INPPL1 Inhibition '=' 13 %
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 3162 nM
Q27686 BXGT013930 Pyruvate kinase reviewed - PYK Potency '=' 10000 nM
Q92835 BXGT019382 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 reviewed - INPP5D Inhibition '=' 2 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02425 Ephedra herba Ephedra herba Others
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF02852 Sophora flavescens Sophora flavescens Medicinal Plant
BXGF03282 Ephedra intermedia Ephedra intermedia Medicinal Plant
BXGF03667 Ephedra distachya Ephedra distachya Medicinal Plant
BXGF04564 Ephedra equisetina Ephedra equisetina Medicinal Plant
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease